N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide

C23H16ClN3O4S — CID 5089017

IUPACN-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide
SMILESO=C(/N=N/c1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O)c1cccc(Cl)c1
InChIInChI=1S/C23H16ClN3O4S/c24-16-8-6-7-15(13-16)23(29)26-25-21-14-20(18-11-4-5-12-19(18)22(21)28)27-32(30,31)17-9-2-1-3-10-17/h1-14,27-28H/b26-25+
InChIKeyBXBYCZSKIQBFLZ-OCEACIFDSA-N
MW465.92 g/mol
LogP5.92
Rot. Bonds5

About N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide

N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide (PubChem CID 5089017) has the molecular formula C23H16ClN3O4S and a molecular weight of 465.92 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide
PubChem CID5089017
Molecular FormulaC23H16ClN3O4S
Molecular Weight465.92 g/mol
Exact Mass465.06
IUPAC NameN-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide
SMILESO=C(/N=N/c1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O)c1cccc(Cl)c1
InChIInChI=1S/C23H16ClN3O4S/c24-16-8-6-7-15(13-16)23(29)26-25-21-14-20(18-11-4-5-12-19(18)22(21)28)27-32(30,31)17-9-2-1-3-10-17/h1-14,27-28H/b26-25+
InChIKeyBXBYCZSKIQBFLZ-OCEACIFDSA-N
XLogP5.92
TPSA108.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.92
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3,5-dihydroxybenzamide
CID 135777327
3-amino-N-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]iminobenzamide
CID 3463382
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]iminofuran-2-carboxamide
CID 5089354
N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide
CID 3487122
N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dihydroxybenzamide
CID 3478501
N-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]iminonaphthalene-2-carboxamide
CID 3498825
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-2-methoxybenzamide
CID 5089172
N-[[4-(benzenesulfonamido)-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-3-hydroxybenzamide
CID 135669369
N-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]imino-2,4-dinitrobenzamide
CID 3473999
2-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid
CID 1309516
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
N-[[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-5,8-dihydronaphthalen-2-yl]imino]-2-hydroxy-2,2-diphenylacetamide
CID 135669390

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide?
The IUPAC name of N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide (CID 5089017) is N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide?
The canonical SMILES for N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide is O=C(/N=N/c1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O)c1cccc(Cl)c1.
What is the InChIKey of N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide?
The InChIKey is BXBYCZSKIQBFLZ-OCEACIFDSA-N. The full InChI is InChI=1S/C23H16ClN3O4S/c24-16-8-6-7-15(13-16)23(29)26-25-21-14-20(18-11-4-5-12-19(18)22(21)28)27-32(30,31)17-9-2-1-3-10-17/h1-14,27-28H/b26-25+.
What are the key properties of N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide?
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide has a molecular weight of 465.92 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide is sourced from PubChem (CID 5089017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).